Compound Identification
SMILES
O=C(COC(=O)C1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C=C2)C=C1)NC1CCS(=O)(=O)C1
InChIKey
InChIKey=MVLCQYDOOSYOIX-UHFFFAOYSA-N
Formula
C21H22N2O9S2
Mass
510.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Sulfanilides Benzo-1,4-dioxanes Benzoyl derivatives Alkyl aryl ethers Para dioxins Organosulfonamides Thiolanes Sulfones Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - Sulfanilide - Benzoyl - Alkyl aryl ether - Para-dioxin - Organosulfonic acid amide - Aminosulfonyl compound - Thiolane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available